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The discovery of potent ribosomal S6 kinase inhibitors by high- throughput screening and structure-guided drug design

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Academic year: 2020

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Figure

Figure 1: PKA, the PKA-S6K1 chimera and native S6K1. A) Superposition of the staurosporine-bound structures of PKA (PDB code: 1STC) in light green and the PKA-S6K1 chimera in light blue showing the close similarity of the structures
Figure 2: Overall performance of the S6K1 high-throughput screen. Alphascreen™ counts (mean ± SD) for total activity wells (■); no enzyme blanks (▼) and Z’ factor (●) for 16 batches of 14 plates containing 320 compounds each.
Table 2: IC50 values and ligand efficiencies of diarylquinazoline hits.
Figure 7: Binding mode of compound 15e. A) Crystal structure of the PKA-S6K1 chimera in complex with compound 15e
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